#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k39 s GLN 2 N 0.00 3.75 0.26 2.12 1.11 -1.26 -1.39 119.66 124.25 2k39 s GLN 2 Ca 0.00 0.16 -0.05 0.00 0.01 0.00 0.00 55.36 55.48 2k39 s GLN 2 Cb 0.00 -3.02 -0.02 0.00 -1.01 0.00 0.00 33.01 28.97 2k39 s GLN 2 CO 0.00 0.58 0.36 0.96 0.01 0.00 0.00 175.29 177.20 2k39 s ILE 3 N -1.37 0.00 -0.09 1.08 -4.36 -1.08 -2.33 121.20 113.05 2k39 s ILE 3 Ca 0.32 -1.67 -0.02 0.00 -0.26 0.00 0.00 60.65 59.02 2k39 s ILE 3 Cb -0.14 -2.42 0.03 0.00 1.25 0.00 0.00 42.46 41.18 2k39 s ILE 3 CO 0.18 0.00 0.00 -0.36 0.24 0.00 0.00 174.94 175.00 2k39 s PHE 4 N -3.78 0.74 -0.14 1.37 0.08 -1.00 -2.57 117.98 112.67 2k39 s PHE 4 Ca 0.31 -0.28 -0.17 0.00 0.12 0.00 0.00 56.93 56.91 2k39 s PHE 4 Cb 0.02 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 2k39 s PHE 4 CO 0.14 -0.37 0.42 0.08 -0.10 0.00 0.00 175.22 175.39 2k39 s VAL 5 N 1.95 5.22 -0.10 -0.44 1.01 0.85 -0.66 120.40 128.23 2k39 s VAL 5 Ca 0.04 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.85 2k39 s VAL 5 Cb -0.13 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.51 2k39 s VAL 5 CO -0.06 0.32 -0.14 -0.75 0.00 0.00 0.00 175.10 174.48 2k39 s LYS 6 N 0.73 2.07 0.38 2.72 2.36 -0.08 0.39 119.74 128.30 2k39 s LYS 6 Ca 0.22 -0.51 -0.15 0.00 -2.55 0.00 0.00 55.97 52.99 2k39 s LYS 6 Cb -0.14 -1.79 -0.09 0.00 -1.05 0.00 0.00 37.83 34.76 2k39 s LYS 6 CO 0.08 -0.07 0.80 0.95 1.55 0.00 0.00 175.35 178.66 2k39 s THR 7 N 1.02 4.65 -0.78 3.43 -4.23 -1.15 -0.46 115.64 118.13 2k39 s THR 7 Ca -0.06 0.97 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 2k39 s THR 7 Cb -0.15 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.06 2k39 s THR 7 CO -0.02 -0.33 0.96 0.18 -0.54 0.00 0.00 174.62 174.87 2k39 n LEU 8 N -0.74 0.03 0.02 4.79 4.77 -1.25 -1.89 117.00 122.72 2k39 n LEU 8 Ca 0.04 0.43 0.03 0.00 -0.03 0.00 0.00 56.01 56.48 2k39 n LEU 8 Cb 0.54 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 2k39 n LEU 8 CO 0.43 -0.45 -0.45 0.35 -1.33 0.00 0.00 177.39 175.94 2k39 n THR 9 N -1.47 0.90 0.00 -5.08 -2.24 -1.26 -4.84 114.28 100.29 2k39 n THR 9 Ca -0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2k39 n THR 9 Cb 0.09 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2k39 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k39 n GLY 10 N 1.38 0.87 3.16 3.38 0.00 -0.80 -5.07 105.19 108.12 2k39 n GLY 10 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2k39 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 11 N 0.25 2.41 -0.42 1.61 2.20 -1.26 -5.01 119.74 119.53 2k39 s LYS 11 Ca 0.00 -1.27 -0.25 0.00 -0.36 0.00 0.00 55.97 54.09 2k39 s LYS 11 Cb 0.00 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 2k39 s LYS 11 CO 0.00 -0.61 0.88 0.99 -0.36 0.00 0.00 175.35 176.25 2k39 s THR 12 N 1.23 4.57 -0.33 3.43 2.01 -1.26 -2.92 115.64 122.37 2k39 s THR 12 Ca -0.06 0.84 -0.13 0.00 0.31 0.00 0.00 61.69 62.66 2k39 s THR 12 Cb -0.20 -4.35 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 2k39 s THR 12 CO -0.02 -0.67 0.23 -0.63 -0.69 0.00 0.00 174.62 172.85 2k39 s ILE 13 N 3.50 5.29 -0.05 1.82 1.01 0.16 -4.95 121.20 127.97 2k39 s ILE 13 Ca 0.35 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 2k39 s ILE 13 Cb -0.11 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2k39 s ILE 13 CO 0.22 0.03 0.49 -0.89 0.00 0.00 0.00 174.94 174.79 2k39 s THR 14 N 1.73 5.06 0.12 2.92 2.01 -1.26 -0.11 115.64 126.11 2k39 s THR 14 Ca 0.06 1.00 0.05 0.00 0.31 0.00 0.00 61.69 63.11 2k39 s THR 14 Cb -0.17 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2k39 s THR 14 CO 0.11 0.42 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.11 2k39 s LEU 15 N -0.06 2.42 -0.15 4.42 2.96 -1.06 -4.98 118.68 122.22 2k39 s LEU 15 Ca 0.27 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 2k39 s LEU 15 Cb -0.16 -0.47 -0.00 0.00 0.50 0.00 0.00 46.19 46.05 2k39 s LEU 15 CO 0.13 -0.19 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.20 2k39 s GLU 16 N -2.79 3.23 0.17 1.98 2.02 -1.26 -2.65 118.70 119.40 2k39 s GLU 16 Ca 0.09 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.35 2k39 s GLU 16 Cb -0.04 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 2k39 s GLU 16 CO 0.02 0.05 -0.01 0.14 0.02 0.00 0.00 175.26 175.48 2k39 s VAL 17 N 0.72 0.73 0.03 2.63 -7.23 -0.48 -4.89 120.40 111.91 2k39 s VAL 17 Ca -0.07 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 2k39 s VAL 17 Cb -0.16 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 2k39 s VAL 17 CO 0.01 -0.52 0.17 -0.70 -0.31 0.00 0.00 175.10 173.75 2k39 s GLU 18 N -3.89 3.33 0.00 4.82 2.56 -1.26 -0.44 118.70 123.81 2k39 s GLU 18 Ca 0.23 -0.44 0.09 0.00 0.00 0.00 0.00 54.97 54.85 2k39 s GLU 18 Cb 0.06 -3.00 0.52 0.00 2.00 0.00 0.00 34.13 33.71 2k39 s GLU 18 CO 0.03 0.63 1.21 -0.35 -0.56 0.00 0.00 175.26 176.22 2k39 n PRO 19 N 0.63 0.85 0.00 4.30 -0.04 -1.26 -2.38 135.00 137.10 2k39 n PRO 19 Ca -0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.39 2k39 n PRO 19 Cb 0.52 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2k39 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k39 n SER 20 N -0.66 0.87 -4.68 3.54 3.41 -1.26 -2.87 113.62 111.97 2k39 n SER 20 Ca 0.07 -0.94 -0.49 0.00 -0.26 0.00 0.00 58.87 57.25 2k39 n SER 20 Cb 0.03 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 2k39 n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k39 n ASP 21 N -0.22 3.15 -4.74 4.04 8.00 -1.00 -4.90 116.55 120.89 2k39 n ASP 21 Ca 0.01 1.02 -0.32 0.00 0.71 0.00 0.00 54.79 56.21 2k39 n ASP 21 Cb 0.05 -1.35 0.10 0.00 -0.02 0.00 0.00 41.12 39.90 2k39 n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2k39 s THR 22 N 3.11 2.90 0.43 -3.53 -4.23 -1.26 -3.15 115.64 109.91 2k39 s THR 22 Ca 0.90 0.33 0.11 0.00 -1.18 0.00 0.00 61.69 61.85 2k39 s THR 22 Cb -0.75 -2.73 0.29 0.00 1.34 0.00 0.00 72.50 70.66 2k39 s THR 22 CO 0.50 -0.34 2.04 0.40 -0.54 0.00 0.00 174.62 176.67 2k39 h ILE 23 N -0.99 1.01 -0.75 2.99 1.08 -0.89 -0.94 117.51 119.03 2k39 h ILE 23 Ca -0.44 -0.15 0.15 0.00 -0.39 0.00 0.00 64.86 64.03 2k39 h ILE 23 Cb 1.25 0.53 -0.14 0.00 -3.07 0.00 0.00 36.82 35.39 2k39 h ILE 23 CO 0.49 0.08 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.80 2k39 h GLU 24 N 0.43 0.01 -0.30 2.37 4.81 -1.16 -1.40 114.58 119.35 2k39 h GLU 24 Ca 0.19 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.24 2k39 h GLU 24 Cb 0.20 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2k39 h GLU 24 CO -0.05 0.01 -0.50 -0.97 -0.73 0.00 0.00 179.01 176.78 2k39 h ASN 25 N 0.01 0.90 -0.96 1.04 -1.24 -1.46 -2.92 115.58 110.96 2k39 h ASN 25 Ca 0.37 -0.46 0.18 0.00 0.71 0.00 0.00 56.30 57.10 2k39 h ASN 25 Cb 0.58 -0.26 -0.09 0.00 0.73 0.00 0.00 38.32 39.29 2k39 h ASN 25 CO -0.75 1.24 0.61 0.58 -1.29 0.00 0.00 177.43 177.82 2k39 h VAL 26 N 0.65 0.74 -0.08 2.57 2.07 -1.09 0.26 116.25 121.37 2k39 h VAL 26 Ca 0.03 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2k39 h VAL 26 Cb 1.09 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2k39 h VAL 26 CO 0.11 0.12 -0.31 0.11 0.02 0.00 0.00 177.57 177.62 2k39 h LYS 27 N 0.66 0.15 0.17 1.57 1.57 -1.07 -0.32 116.57 119.30 2k39 h LYS 27 Ca 0.51 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.94 2k39 h LYS 27 Cb 0.92 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.23 2k39 h LYS 27 CO -0.27 0.45 -1.36 0.00 -0.57 0.00 0.00 179.45 177.70 2k39 h ALA 28 N 1.56 0.02 0.00 3.86 0.00 -1.33 -2.05 119.26 121.32 2k39 h ALA 28 Ca 0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 54.91 53.99 2k39 h ALA 28 Cb 0.62 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k39 h ALA 28 CO 0.04 0.89 -0.18 0.87 0.00 0.00 0.00 179.25 180.88 2k39 h LYS 29 N 0.10 0.00 -0.35 0.00 1.57 -0.86 -1.49 116.57 115.54 2k39 h LYS 29 Ca -0.19 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 2k39 h LYS 29 Cb 2.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.35 2k39 h LYS 29 CO 0.23 0.18 -0.05 0.82 -0.57 0.00 0.00 179.45 180.06 2k39 h ILE 30 N 0.00 1.27 -0.98 1.86 2.04 -1.07 -3.22 117.51 117.41 2k39 h ILE 30 Ca -0.00 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.79 2k39 h ILE 30 Cb 0.33 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 2k39 h ILE 30 CO 0.02 0.36 0.65 -0.61 0.00 0.00 0.00 178.15 178.57 2k39 h GLN 31 N 0.46 1.27 -0.06 2.37 4.15 -0.98 0.17 115.11 122.49 2k39 h GLN 31 Ca 0.09 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.45 2k39 h GLN 31 Cb 0.54 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 2k39 h GLN 31 CO 0.03 0.84 0.21 0.22 -1.93 0.00 0.00 178.83 178.19 2k39 h ASP 32 N 1.30 0.00 0.00 -0.69 3.58 -1.29 0.58 116.42 119.90 2k39 h ASP 32 Ca 0.36 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.57 2k39 h ASP 32 Cb -0.12 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 2k39 h ASP 32 CO -0.09 0.00 -1.82 0.29 -2.88 0.00 0.00 179.24 174.75 2k39 n LYS 33 N -3.18 0.31 0.00 0.28 4.76 -0.47 -4.80 118.16 115.06 2k39 n LYS 33 Ca -0.01 0.14 0.08 0.00 -2.87 0.00 0.00 58.31 55.65 2k39 n LYS 33 Cb 0.28 -1.02 -0.09 0.00 -1.84 0.00 0.00 35.03 32.36 2k39 n LYS 33 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2k39 n GLU 34 N -3.65 1.15 0.00 1.97 4.07 0.48 -5.00 120.64 119.66 2k39 n GLU 34 Ca -0.29 -0.06 0.00 0.00 -0.06 0.00 0.00 57.16 56.76 2k39 n GLU 34 Cb 0.70 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.74 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N 1.41 2.86 3.76 8.31 0.00 0.20 -4.95 105.19 116.78 2k39 n GLY 35 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k39 s ILE 36 N -2.05 4.16 0.30 -0.61 -4.36 -1.26 -4.95 121.20 112.44 2k39 s ILE 36 Ca 0.00 1.96 -0.29 0.00 -0.26 0.00 0.00 60.65 62.07 2k39 s ILE 36 Cb 0.00 -4.26 -0.09 0.00 1.25 0.00 0.00 42.46 39.36 2k39 s ILE 36 CO 0.00 0.49 1.12 -2.16 0.24 0.00 0.00 174.94 174.63 2k39 s PRO 37 N -1.22 4.53 0.54 0.37 0.04 -1.26 -3.97 135.00 134.03 2k39 s PRO 37 Ca 0.40 1.82 0.46 0.00 0.04 0.00 0.00 61.00 63.72 2k39 s PRO 37 Cb -0.25 -3.08 1.68 0.00 0.04 0.00 0.00 34.50 32.90 2k39 s PRO 37 CO 0.30 0.10 1.59 -1.35 0.04 0.00 0.00 177.00 177.69 2k39 h PRO 38 N 3.57 0.01 0.25 0.56 0.11 -1.95 -3.25 132.00 131.29 2k39 h PRO 38 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k39 h PRO 38 Cb 1.21 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2k39 h PRO 38 CO 0.66 0.00 -0.26 0.22 -0.21 0.00 0.00 178.00 178.41 2k39 h ASP 39 N 0.01 -0.71 0.72 -2.05 3.58 -1.96 -2.84 116.42 113.16 2k39 h ASP 39 Ca 0.90 0.07 0.00 0.00 0.42 0.00 0.00 57.03 58.42 2k39 h ASP 39 Cb 3.50 0.25 0.00 0.00 1.72 0.00 0.00 39.33 44.80 2k39 h ASP 39 CO -0.09 -0.38 -0.00 0.00 -2.88 0.00 0.00 179.24 175.89 2k39 n GLN 40 N -5.39 0.28 -3.33 0.28 10.64 -1.23 -4.85 117.38 113.79 2k39 n GLN 40 Ca -0.08 -0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.74 2k39 n GLN 40 Cb 0.29 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.12 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2k39 s GLN 41 N -2.72 3.99 -0.08 2.61 -0.21 -1.07 -3.26 119.66 118.92 2k39 s GLN 41 Ca 0.24 0.51 0.04 0.00 0.02 0.00 0.00 55.36 56.16 2k39 s GLN 41 Cb 0.20 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 31.35 2k39 s GLN 41 CO 0.49 0.43 -0.19 1.03 -2.12 0.00 0.00 175.29 174.93 2k39 s ARG 42 N -2.12 2.41 -0.08 2.91 0.52 -0.90 -5.00 118.95 116.69 2k39 s ARG 42 Ca 0.40 -0.69 -0.20 0.00 -0.52 0.00 0.00 55.73 54.72 2k39 s ARG 42 Cb -0.14 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 2k39 s ARG 42 CO 0.20 0.15 0.57 -0.51 0.02 0.00 0.00 175.30 175.73 2k39 s LEU 43 N 0.38 4.31 -0.13 2.53 2.01 -1.26 -2.54 118.68 123.98 2k39 s LEU 43 Ca -0.15 1.00 0.02 0.00 0.01 0.00 0.00 54.13 55.01 2k39 s LEU 43 Cb -0.16 -2.86 0.01 0.00 0.01 0.00 0.00 46.19 43.19 2k39 s LEU 43 CO 0.06 -0.02 -0.18 -0.63 1.01 0.00 0.00 176.35 176.58 2k39 s ILE 44 N 0.54 1.81 -0.06 -0.59 -1.09 0.11 -1.75 121.20 120.17 2k39 s ILE 44 Ca 0.31 -0.82 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 2k39 s ILE 44 Cb -0.17 -1.63 0.02 0.00 -1.58 0.00 0.00 42.46 39.11 2k39 s ILE 44 CO 0.14 0.50 0.25 0.12 -1.23 0.00 0.00 174.94 174.73 2k39 s PHE 45 N 1.01 -0.20 -1.66 3.97 5.36 -0.88 -0.37 117.98 125.21 2k39 s PHE 45 Ca -0.04 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 2k39 s PHE 45 Cb -0.15 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.60 2k39 s PHE 45 CO -0.04 -0.23 0.00 0.00 -1.46 0.00 0.00 175.22 173.49 2k39 n ALA 46 N 2.24 -0.38 -0.23 11.12 0.00 -1.26 -1.46 120.51 130.54 2k39 n ALA 46 Ca -0.17 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k39 n ALA 46 Cb 0.57 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2k39 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k39 n GLY 47 N -0.93 0.71 3.15 0.00 0.00 -1.26 -5.05 105.19 101.80 2k39 n GLY 47 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2k39 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 48 N -0.70 0.77 0.09 1.61 -2.85 -0.54 -5.12 119.74 113.01 2k39 s LYS 48 Ca 0.00 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.54 2k39 s LYS 48 Cb 0.00 -0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 35.35 2k39 s LYS 48 CO 0.00 0.04 1.00 1.14 0.10 0.00 0.00 175.35 177.63 2k39 s GLN 49 N -2.90 4.64 0.15 1.78 -2.07 -1.26 -2.07 119.66 117.93 2k39 s GLN 49 Ca 0.04 1.50 -0.29 0.00 -1.82 0.00 0.00 55.36 54.79 2k39 s GLN 49 Cb -0.02 -3.38 -0.07 0.00 -1.09 0.00 0.00 33.01 28.46 2k39 s GLN 49 CO -0.02 0.12 0.94 -0.51 -1.32 0.00 0.00 175.29 174.50 2k39 s LEU 50 N 0.21 4.54 0.34 2.60 1.43 -0.71 -4.99 118.68 122.10 2k39 s LEU 50 Ca 0.49 1.81 -0.26 0.00 -1.03 0.00 0.00 54.13 55.14 2k39 s LEU 50 Cb -0.24 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 2k39 s LEU 50 CO 0.30 0.02 1.02 -1.61 0.23 0.00 0.00 176.35 176.30 2k39 s GLU 51 N -0.39 4.43 0.32 1.70 0.41 -1.26 -4.81 118.70 119.09 2k39 s GLU 51 Ca 0.44 1.50 0.06 0.00 -0.41 0.00 0.00 54.97 56.57 2k39 s GLU 51 Cb -0.24 -2.78 0.55 0.00 -1.78 0.00 0.00 34.13 29.88 2k39 s GLU 51 CO 0.30 0.10 1.79 -0.44 -0.49 0.00 0.00 175.26 176.51 2k39 h ASP 52 N 3.05 0.33 -0.01 -0.19 5.19 -1.96 -3.25 116.42 119.56 2k39 h ASP 52 Ca -0.47 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 2k39 h ASP 52 Cb 1.21 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2k39 h ASP 52 CO 0.64 0.58 -0.44 0.61 -3.12 0.00 0.00 179.24 177.51 2k39 n GLY 53 N -0.51 -0.03 3.79 2.75 0.00 -1.26 -0.63 105.19 109.31 2k39 n GLY 53 Ca -0.01 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2k39 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k39 s ARG 54 N -2.27 3.77 0.24 1.61 1.81 -1.23 -4.92 118.95 117.97 2k39 s ARG 54 Ca 0.16 1.42 0.06 0.00 -1.72 0.00 0.00 55.73 55.65 2k39 s ARG 54 Cb 0.16 -2.13 -0.03 0.00 -0.45 0.00 0.00 34.95 32.50 2k39 s ARG 54 CO 0.52 -0.46 0.25 0.95 -0.68 0.00 0.00 175.30 175.87 2k39 s THR 55 N -1.91 4.72 0.23 0.02 -4.23 -1.26 -1.61 115.64 111.60 2k39 s THR 55 Ca 0.67 -1.25 -0.08 0.00 -1.18 0.00 0.00 61.69 59.85 2k39 s THR 55 Cb -0.18 -3.55 0.23 0.00 1.34 0.00 0.00 72.50 70.34 2k39 s THR 55 CO 0.22 -0.33 1.66 -0.07 -0.54 0.00 0.00 174.62 175.55 2k39 h LEU 56 N 1.43 -0.24 -0.02 4.79 3.38 -1.77 -1.18 115.31 121.70 2k39 h LEU 56 Ca -0.50 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2k39 h LEU 56 Cb 1.23 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 2k39 h LEU 56 CO 0.61 -0.12 0.01 0.28 0.09 0.00 0.00 178.44 179.30 2k39 h SER 57 N 0.14 0.00 -0.82 -0.43 0.02 -1.80 0.31 113.55 110.99 2k39 h SER 57 Ca 0.38 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.50 2k39 h SER 57 Cb 0.64 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.07 2k39 h SER 57 CO -0.57 0.01 0.33 0.44 -1.14 0.00 0.00 176.83 175.90 2k39 h ASP 58 N 0.02 0.29 -0.08 3.07 3.32 -1.81 -2.63 116.42 118.60 2k39 h ASP 58 Ca 0.01 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2k39 h ASP 58 Cb 0.01 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2k39 h ASP 58 CO -0.01 0.07 0.00 -1.22 -1.72 0.00 0.00 179.24 176.36 2k39 n TYR 59 N -5.02 0.09 -2.43 4.55 4.01 -0.48 -4.97 117.16 112.91 2k39 n TYR 59 Ca 0.17 -0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.82 2k39 n TYR 59 Cb 0.50 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.56 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k39 n ASN 60 N 0.61 -2.13 -3.70 7.72 2.85 -0.05 -4.96 115.26 115.60 2k39 n ASN 60 Ca 0.17 -0.20 -0.36 0.00 -0.11 0.00 0.00 54.58 54.08 2k39 n ASN 60 Cb 0.43 -1.99 -0.03 0.00 1.24 0.00 0.00 39.78 39.43 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2k39 n ILE 61 N -2.01 4.07 -3.44 -1.44 5.41 0.90 -4.96 119.36 117.89 2k39 n ILE 61 Ca -0.09 -5.64 -0.26 0.00 1.00 0.00 0.00 62.75 57.76 2k39 n ILE 61 Cb 0.55 -2.03 -0.09 0.00 -0.71 0.00 0.00 39.64 37.37 2k39 n ILE 61 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2k39 n GLN 62 N 0.97 1.66 -0.82 0.38 -0.06 -1.26 -4.67 117.38 113.58 2k39 n GLN 62 Ca 0.29 -4.09 0.00 0.00 -2.00 0.00 0.00 57.00 51.20 2k39 n GLN 62 Cb 0.36 -1.92 0.00 0.00 -4.06 0.00 0.00 30.24 24.62 2k39 n GLN 62 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2k39 n LYS 63 N 1.42 0.00 -1.45 3.69 0.00 -1.26 -4.91 118.16 115.65 2k39 n LYS 63 Ca 0.26 0.27 0.00 0.00 0.00 0.00 0.00 58.31 58.84 2k39 n LYS 63 Cb 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 35.03 34.92 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2k39 n GLU 64 N 0.04 0.00 -4.39 1.64 2.13 -0.98 -5.02 120.64 114.06 2k39 n GLU 64 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 2k39 n GLU 64 Cb 0.00 -1.70 -0.09 0.00 0.27 0.00 0.00 31.44 29.92 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2k39 s SER 65 N -2.45 3.97 -0.10 4.31 1.04 -1.26 -5.02 113.70 114.20 2k39 s SER 65 Ca 0.00 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 2k39 s SER 65 Cb 0.00 -0.53 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 2k39 s SER 65 CO 0.00 0.04 -0.04 -0.89 0.98 0.00 0.00 173.24 173.33 2k39 s THR 66 N -2.31 3.97 0.01 2.02 2.01 -1.26 -2.37 115.64 117.71 2k39 s THR 66 Ca 0.29 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2k39 s THR 66 Cb -0.06 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 2k39 s THR 66 CO 0.16 0.57 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.78 2k39 s LEU 67 N -0.54 2.83 0.00 4.42 1.43 0.17 -4.90 118.68 122.10 2k39 s LEU 67 Ca 0.09 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 2k39 s LEU 67 Cb -0.12 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.41 2k39 s LEU 67 CO 0.02 0.29 0.52 -1.00 0.23 0.00 0.00 176.35 176.41 2k39 s HIS 68 N -0.90 3.70 -0.22 0.29 3.76 0.50 -0.90 115.29 121.51 2k39 s HIS 68 Ca 0.15 1.12 0.02 0.00 -0.15 0.00 0.00 55.06 56.20 2k39 s HIS 68 Cb -0.11 -2.49 0.04 0.00 1.11 0.00 0.00 32.58 31.14 2k39 s HIS 68 CO 0.05 0.46 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.10 2k39 s LEU 69 N -0.54 2.76 -0.09 0.89 2.96 0.40 -0.71 118.68 124.34 2k39 s LEU 69 Ca 0.28 -1.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.17 2k39 s LEU 69 Cb -0.18 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2k39 s LEU 69 CO 0.16 -0.13 -0.20 0.68 -1.32 0.00 0.00 176.35 175.54 2k39 s VAL 70 N 1.24 2.47 0.12 1.68 -7.23 -1.05 -3.83 120.40 113.80 2k39 s VAL 70 Ca -0.03 -0.90 0.10 0.00 -1.81 0.00 0.00 61.98 59.34 2k39 s VAL 70 Cb -0.17 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2k39 s VAL 70 CO -0.08 0.56 -0.24 -0.76 -0.31 0.00 0.00 175.10 174.27 2k39 s LEU 71 N 0.03 2.32 -0.47 1.32 1.02 -1.26 -2.12 118.68 119.51 2k39 s LEU 71 Ca -0.07 -0.73 -0.02 0.00 0.02 0.00 0.00 54.13 53.32 2k39 s LEU 71 Cb -0.15 -1.06 0.22 0.00 0.02 0.00 0.00 46.19 45.22 2k39 s LEU 71 CO 0.05 0.12 2.28 -1.14 0.02 0.00 0.00 176.35 177.67 2k39 n ARG 72 N 0.93 2.24 -3.95 1.70 0.63 -1.20 -4.87 116.66 112.14 2k39 n ARG 72 Ca -0.18 -2.31 -0.09 0.00 -0.92 0.00 0.00 57.85 54.35 2k39 n ARG 72 Cb 0.54 -1.97 -0.09 0.00 0.45 0.00 0.00 32.46 31.38 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2k39 s LEU 73 N -2.50 1.90 -0.28 6.15 0.05 -1.26 -5.10 118.68 117.64 2k39 s LEU 73 Ca 0.48 -0.60 -0.24 0.00 0.05 0.00 0.00 54.13 53.83 2k39 s LEU 73 Cb 0.35 0.54 -0.00 0.00 -2.05 0.00 0.00 46.19 45.03 2k39 s LEU 73 CO -0.12 -0.52 0.80 0.00 -0.55 0.00 0.00 176.35 175.97 2k39 s ARG 74 N -2.77 4.04 0.00 1.48 1.70 -1.26 -4.48 118.95 117.66 2k39 s ARG 74 Ca -0.04 0.71 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 2k39 s ARG 74 Cb -0.00 -3.70 0.00 0.00 -0.57 0.00 0.00 34.95 30.68 2k39 s ARG 74 CO -0.05 -0.62 0.00 0.41 -1.08 0.00 0.00 175.30 173.95 2k39 n GLY 75 N 4.05 0.68 0.00 3.88 0.00 -1.26 -5.23 105.19 107.31 2k39 n GLY 75 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93